#METABOLOMICS WORKBENCH Mamo_O_20250120_171530 DATATRACK_ID:5547 STUDY_ID:ST003722 ANALYSIS_ID:AN006640 PROJECT_ID:PR002311
VERSION             	1
CREATED_ON             	July 6, 2025, 8:13 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolomic changes in plasma during immobilization and FoxO1 overexpression in
PR:PROJECT_TITLE                 	mice.
PR:PROJECT_SUMMARY               	To better understand the metabolic changes in plasma during immobilization and
PR:PROJECT_SUMMARY               	FoxO1 overexpression, we performed a metabolomic analysis of plasma from
PR:PROJECT_SUMMARY               	11-week-old C57BL/6J male mice immobilized for 7 days and from age-matched
PR:PROJECT_SUMMARY               	FoxO1-Tg male mice and age-matched control male mice using CE-TOFMS.
PR:INSTITUTE                     	Kyoto Prefectural University
PR:LAST_NAME                     	Kamei
PR:FIRST_NAME                    	Yasutomi
PR:ADDRESS                       	1-5 Hangi-cho, Shimogamo, Sakyo-ku, Kyoto, Kyoto, 606-8522, Japan
PR:EMAIL                         	oyabu0507@gmail.com
PR:PHONE                         	+81-75-703-5661
#STUDY
ST:STUDY_TITLE                   	Metabolomic analysis of plasma from control, immobilized and FoxO1-Tg mice.
ST:STUDY_SUMMARY                 	The Forkhead box O (FoxO) transcription factors have been reported to be
ST:STUDY_SUMMARY                 	critical factors for muscle atrophy in a variety of pathological and
ST:STUDY_SUMMARY                 	physiological conditions, and genetically induced FoxO1 overexpression resulted
ST:STUDY_SUMMARY                 	in severe muscle atrophy. To better understand the metabolic changes in plasma
ST:STUDY_SUMMARY                 	during immobilization and FoxO1 overexpression, we performed a metabolomic
ST:STUDY_SUMMARY                 	analysis of plasma from 11-week-old C57BL/6J male mice immobilized for 7 days
ST:STUDY_SUMMARY                 	and from age-matched FoxO1-Tg male mice and age-matched control male mice using
ST:STUDY_SUMMARY                 	CE-TOFMS. Our data show that immobilized mice were characterized by a reduction
ST:STUDY_SUMMARY                 	of many metabolites, including 2-oxoglutaric acid (α-ketoglutarate: α-KG),
ST:STUDY_SUMMARY                 	2-hydroxyisobutyric acid, and guanidinosuccinic acid, in the plasma.
ST:INSTITUTE                     	Kyoto Prefectural University
ST:LAST_NAME                     	Kamei
ST:FIRST_NAME                    	Yasutomi
ST:ADDRESS                       	1-5 Hangi-cho, Shimogamo, Sakyo-ku, Kyoto, Kyoto, 606-8522, Japan
ST:EMAIL                         	oyabu0507@gmail.com
ST:PHONE                         	+81-75-703-5661
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	C57BL/6J and FOXO1-Tg
SU:AGE_OR_AGE_RANGE              	11-week-old
SU:WEIGHT_OR_WEIGHT_RANGE        	24.7 g, 23.0 g, 24.8 g, and 22.5 g for control mice (n = 4) 18.2 g, 22.4 g, 20.3
SU:WEIGHT_OR_WEIGHT_RANGE        	g, and 20.0 g for FoxO1-Tg mice (n = 4), and 21.4 g, 21.3 g, 22.5 g, and 23.6 g
SU:WEIGHT_OR_WEIGHT_RANGE        	for immobilized mice (n = 4).
SU:GENDER                        	Male
SU:ANIMAL_ANIMAL_SUPPLIER        	CLEA Japan (Tokyo, Japan)
SU:ANIMAL_LIGHT_CYCLE            	12-h light-dark cycle
SU:ANIMAL_FEED                   	CE2
SU:SPECIES_GROUP                 	Mammals
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	P-C-1	C-1	Group:Control group | Sample source:Plasma | Genotype:wild-type | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=TMDUM002_A_20100123_P-c-1_d5-2.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM002_C_20100125_P-C-1_d1.mzML
SUBJECT_SAMPLE_FACTORS           	P-C-3	C-3	Group:Control group | Sample source:Plasma | Genotype:wild-type | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=TMDUM002_A_20100123_P-c-3_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM002_C_20100125_P-C-3_d1.mzML
SUBJECT_SAMPLE_FACTORS           	P-C-4	C-4	Group:Control group | Sample source:Plasma | Genotype:wild-type | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=TMDUM002_A_20100123_P-c-4_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM002_C_20100125_P-C-4_d1.mzML
SUBJECT_SAMPLE_FACTORS           	P-C-5	C-5	Group:Control group | Sample source:Plasma | Genotype:wild-type | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=TMDUM002_A_20100123_P-c-5_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM002_C_20100125_P-C-5_d1.mzML
SUBJECT_SAMPLE_FACTORS           	P-Tg-1	Tg-1	Group:FOXO1-Tg group | Sample source:Plasma | Genotype:FOXO1-Tg | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=TMDUM002_A_20100123_P-Tg-1_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM002_C_20100125_P-Tg-1_d1.mzML
SUBJECT_SAMPLE_FACTORS           	P-Tg-2	Tg-2	Group:FOXO1-Tg group | Sample source:Plasma | Genotype:FOXO1-Tg | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=TMDUM002_A_20100123_P-Tg-2_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM002_C_20100125_P-Tg-2_d1.mzML
SUBJECT_SAMPLE_FACTORS           	P-Tg-3	Tg-3	Group:FOXO1-Tg group | Sample source:Plasma | Genotype:FOXO1-Tg | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=TMDUM002_A_20100123_P-Tg-3_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM002_C_20100125_P-Tg-3_d1.mzML
SUBJECT_SAMPLE_FACTORS           	P-Tg-5	Tg-5	Group:FOXO1-Tg group | Sample source:Plasma | Genotype:FOXO1-Tg | Treatment:Control | Time:-	RAW_FILE_NAME(raw data file name_anion)=TMDUM002_A_20100123_P-Tg-5_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM002_C_20100125_P-Tg-5_d1.mzML
SUBJECT_SAMPLE_FACTORS           	P-P-4	P-4	Group:Plaster group | Sample source:Plasma | Genotype:wild-type | Treatment:immobilization | Time:7 days	RAW_FILE_NAME(raw data file name_anion)=TMDUM002_A_20100123_P-P-4_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM002_C_20100125_P-P-4_d1.mzML
SUBJECT_SAMPLE_FACTORS           	P-P-5	P-5	Group:Plaster group | Sample source:Plasma | Genotype:wild-type | Treatment:immobilization | Time:7 days	RAW_FILE_NAME(raw data file name_anion)=TMDUM002_A_20100123_P-P-5_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM002_C_20100125_P-P-5_d1.mzML
SUBJECT_SAMPLE_FACTORS           	P-P-7	P-7	Group:Plaster group | Sample source:Plasma | Genotype:wild-type | Treatment:immobilization | Time:7 days	RAW_FILE_NAME(raw data file name_anion)=TMDUM002_A_20100123_P-P-7_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM002_C_20100125_P-P-7_d1.mzML
SUBJECT_SAMPLE_FACTORS           	P-P-8	P-8	Group:Plaster group | Sample source:Plasma | Genotype:wild-type | Treatment:immobilization | Time:7 days	RAW_FILE_NAME(raw data file name_anion)=TMDUM002_A_20100123_P-P-8_d5.mzML; RAW_FILE_NAME(raw data file name_cation)=TMDUM002_C_20100125_P-P-8_d1.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Blood from 11-week-old C57BL/6J male mice immobilized for 7 days, age-matched
CO:COLLECTION_SUMMARY            	FOXO1-Tg male mice, and age-matched control male mice was collected into
CO:COLLECTION_SUMMARY            	Venoject II vacuum blood collection tube (blood collection tube) and plasma was
CO:COLLECTION_SUMMARY            	separated by centrifugation at 800 × g for 5 min, rapidly frozen in liquid
CO:COLLECTION_SUMMARY            	nitrogen, and stored at -80°C (n = 4 mice/group).
CO:SAMPLE_TYPE                   	Blood (plasma)
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	The right hindlimb of C57BL/6J male mice was immobilized (unloaded) with plaster
TR:TREATMENT_SUMMARY             	cast. This procedure prevented movement of the immobilized leg alone. Mice not
TR:TREATMENT_SUMMARY             	exposed to atrophic conditions were used as controls.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	50 µL of plasma sample and 450 µL methanol solution (internal standard
SP:SAMPLEPREP_SUMMARY            	concentration: 10 μM) were added to each tube and stirred. To this, 500 μL
SP:SAMPLEPREP_SUMMARY            	chloroform and 200 μL Milli-Q water were added, stirred, and centrifuged (2,300
SP:SAMPLEPREP_SUMMARY            	× g, 4°C, 5 min). After centrifugation, 200 μL × 2 of the aqueous phases was
SP:SAMPLEPREP_SUMMARY            	transferred to ultrafiltration tubes (MILLIPORE, Ultrafree MC UFC3 LCC
SP:SAMPLEPREP_SUMMARY            	centrifugal filter unit 5 KDa). This was centrifuged (9,100 × g, 4°C, 120 min)
SP:SAMPLEPREP_SUMMARY            	and subjected to ultrafiltration. The filtrate was dried and redissolved in 25
SP:SAMPLEPREP_SUMMARY            	μL Milli-Q water for for metabolome analysis at Human Metabolome Technologies
SP:SAMPLEPREP_SUMMARY            	(HMT).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	The column used has a model number TSP050375 from Polymicro Technologies.
CH:CHROMATOGRAPHY_SUMMARY        	Specifically, this item was purchased and then cut and processed for use.
CH:CHROMATOGRAPHY_TYPE           	CE
CH:INSTRUMENT_NAME               	Agilent 7100 CE
CH:COLUMN_NAME                   	Fused silica capillary i.d. 50 μm x 80 cm
CH:SOLVENT_A                     	Cation Buffer Solution (p/n : H3301-1001)
CH:SOLVENT_B                     	N/A
CH:FLOW_GRADIENT                 	N/A
CH:FLOW_RATE                     	N/A
CH:COLUMN_TEMPERATURE            	N/A
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6230 TOF
MS:INSTRUMENT_TYPE               	TOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	CE-TOFMS(Basic) positive(Cation) mode Run buffer : Cation Buffer Solution ( p/n
MS:MS_COMMENTS                   	: H3301-1001) Rinse buffer : Cation Buffer Solution ( p/n : H3301-1001) Sample
MS:MS_COMMENTS                   	injection : Pressure injection 50 mbar, 10 sec CE voltage : Positive, 27 kV MS
MS:MS_COMMENTS                   	ionization : ESI Positive MS capillary voltage : 4,000 V MS scan range : m/z
MS:MS_COMMENTS                   	50-1,000 Sheath liquid : HMT Sheath Liquid ( p/n : H3301-1020)
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	arbitrary unit
MS_METABOLITE_DATA_START
Samples	C-1	C-3	C-4	C-5	Tg-1	Tg-2	Tg-3	Tg-5	P-4	P-5	P-7	P-8
Factors	Group:Control group | Sample source:Plasma | Genotype:wild-type | Treatment:Control | Time:-	Group:Control group | Sample source:Plasma | Genotype:wild-type | Treatment:Control | Time:-	Group:Control group | Sample source:Plasma | Genotype:wild-type | Treatment:Control | Time:-	Group:Control group | Sample source:Plasma | Genotype:wild-type | Treatment:Control | Time:-	Group:FOXO1-Tg group | Sample source:Plasma | Genotype:FOXO1-Tg | Treatment:Control | Time:-	Group:FOXO1-Tg group | Sample source:Plasma | Genotype:FOXO1-Tg | Treatment:Control | Time:-	Group:FOXO1-Tg group | Sample source:Plasma | Genotype:FOXO1-Tg | Treatment:Control | Time:-	Group:FOXO1-Tg group | Sample source:Plasma | Genotype:FOXO1-Tg | Treatment:Control | Time:-	Group:Plaster group | Sample source:Plasma | Genotype:wild-type | Treatment:immobilization | Time:7 days	Group:Plaster group | Sample source:Plasma | Genotype:wild-type | Treatment:immobilization | Time:7 days	Group:Plaster group | Sample source:Plasma | Genotype:wild-type | Treatment:immobilization | Time:7 days	Group:Plaster group | Sample source:Plasma | Genotype:wild-type | Treatment:immobilization | Time:7 days
Urea	3.0E+01	4.1E+01	4.2E+01	4.0E+01	3.9E+01	4.7E+01	5.0E+01	4.3E+01	4.4E+01	4.0E+01	3.7E+01	2.9E+01
Gly	1.4E+00	1.9E+00	1.6E+00	2.0E+00	1.8E+00	1.6E+00	1.4E+00	1.6E+00	1.7E+00	1.8E+00	1.5E+00	1.0E+00
Trimethylamine N-oxide	5.2E-02	8.0E-02	9.0E-02	4.7E-02	6.5E-02	9.2E-02	7.8E-02	6.5E-02	9.6E-02	6.8E-02	9.6E-02	8.1E-02
Putrescine	4.7E-03	5.2E-03	7.3E-03	4.6E-03	5.8E-03	7.0E-03	3.7E-03	5.2E-03	3.8E-03	3.6E-03	5.2E-03	2.6E-03
β-Ala	1.3E-02	1.4E-02	1.1E-02	1.1E-02	7.1E-03	8.2E-03	8.3E-03	9.6E-03	1.3E-02	8.3E-03	1.2E-02	1.1E-02
Sarcosine	1.9E-02	4.1E-02	4.1E-02	3.5E-02	2.4E-02	3.8E-02	4.7E-02	2.1E-02	3.2E-02	3.7E-02	3.0E-02	1.4E-02
Ala	2.3E+00	3.1E+00	3.2E+00	3.6E+00	3.8E+00	3.5E+00	3.8E+00	2.4E+00	2.9E+00	3.0E+00	3.1E+00	2.0E+00
Cyclohexylamine	7.1E-03	1.2E-02	1.2E-02	1.6E-02	1.2E-02	1.1E-02	1.2E-02	1.5E-02	1.2E-02	8.9E-03	1.0E-02	1.3E-02
Hexylamine	7.0E-04	5.8E-03	5.1E-03	9.5E-03	5.9E-03	8.5E-03	8.3E-03	1.4E-02	7.8E-03	1.4E-03	4.7E-03	1.2E-02
2-Aminobutyric acid	4.9E-02	8.3E-02	7.9E-02	9.6E-02	8.4E-02	1.0E-01	1.4E-01	9.5E-02	1.1E-01	9.4E-02	8.8E-02	6.7E-02
"N,N-Dimethylglycine"	6.4E-02	8.5E-02	8.7E-02	5.3E-02	6.5E-02	9.3E-02	1.1E-01	5.1E-02	1.1E-01	9.6E-02	9.7E-02	7.3E-02
3-Aminobutyric acid	1.9E-03	2.7E-03	N.D.	3.4E-03	3.7E-03	N.D.	3.5E-03	3.6E-03	2.4E-03	N.D.	4.4E-03	N.D.
γ-Aminobutyric acid	4.0E-03	4.6E-03	3.1E-03	3.9E-03	2.6E-03	5.5E-03	5.2E-03	3.9E-03	5.1E-03	2.7E-03	4.1E-03	3.0E-03
Choline	5.5E-01	6.1E-01	5.2E-01	6.6E-01	6.5E-01	4.9E-01	4.7E-01	5.7E-01	6.2E-01	6.5E-01	7.4E-01	6.8E-01
Ser	5.8E-01	7.9E-01	7.0E-01	8.8E-01	9.9E-01	7.9E-01	7.9E-01	6.9E-01	7.7E-01	7.3E-01	8.4E-01	6.2E-01
Diethanolamine	2.6E-03	3.2E-03	4.5E-03	3.2E-03	1.0E-02	2.1E-03	3.1E-03	3.9E-03	5.7E-03	3.6E-03	2.7E-03	3.6E-03
Hypotaurine	2.5E-02	2.8E-02	2.2E-02	1.9E-02	2.6E-02	3.2E-02	2.1E-02	2.9E-02	2.9E-02	1.5E-02	2.6E-02	1.9E-02
Cytosine	2.5E-03	2.0E-03	1.1E-03	1.0E-02	N.D.	4.4E-03	5.9E-03	3.6E-03	N.D.	3.2E-03	5.9E-03	2.3E-03
Histamine	3.6E-03	5.7E-03	2.1E-03	3.6E-03	6.2E-03	5.2E-03	4.5E-03	5.6E-03	3.9E-03	1.8E-03	2.1E-03	2.9E-03
Creatinine	1.2E-01	1.5E-01	1.6E-01	1.1E-01	1.0E-01	1.1E-01	1.4E-01	7.7E-02	1.4E-01	1.3E-01	1.4E-01	1.0E-01
Pro	7.6E-01	1.3E+00	1.5E+00	1.4E+00	1.3E+00	1.3E+00	1.7E+00	8.9E-01	1.3E+00	1.5E+00	1.5E+00	7.2E-01
Guanidoacetic acid	1.9E-02	2.0E-02	1.9E-02	1.8E-02	2.4E-02	2.3E-02	1.6E-02	2.0E-02	2.8E-02	1.7E-02	2.3E-02	1.4E-02
Betaine	8.9E-01	1.2E+00	1.1E+00	1.2E+00	1.4E+00	1.2E+00	1.2E+00	7.6E-01	1.3E+00	1.4E+00	1.6E+00	1.1E+00
Val	3.1E+00	4.7E+00	4.6E+00	4.8E+00	4.9E+00	5.4E+00	6.2E+00	4.0E+00	4.8E+00	4.2E+00	4.8E+00	2.9E+00
Thr	8.9E-01	1.5E+00	1.3E+00	1.5E+00	1.6E+00	1.5E+00	1.6E+00	1.2E+00	1.7E+00	1.6E+00	1.6E+00	8.9E-01
Cys	2.2E-03	5.5E-03	6.6E-03	8.1E-03	2.0E-03	3.5E-03	4.0E-03	1.8E-03	N.D.	5.6E-03	3.4E-03	5.6E-03
Nicotinamide	3.9E-02	2.8E-02	2.8E-02	3.7E-02	4.7E-02	3.3E-02	3.6E-02	5.7E-02	2.9E-02	4.5E-02	4.0E-02	4.4E-02
Taurine	5.9E-01	6.0E-01	5.3E-01	7.5E-01	8.2E-01	6.9E-01	5.2E-01	8.3E-01	5.0E-01	5.3E-01	8.5E-01	5.3E-01
1-Methylhistamine	1.9E-03	7.6E-03	2.9E-03	2.4E-03	7.6E-03	3.0E-03	1.1E-02	4.7E-03	2.4E-03	2.4E-03	3.8E-03	2.3E-03
Pipecolic acid	1.0E-01	9.9E-02	1.2E-01	1.1E-01	9.6E-02	9.9E-02	1.1E-01	1.1E-01	6.6E-02	7.6E-02	7.3E-02	6.0E-02
N-Methylproline	4.3E-03	6.2E-03	5.5E-03	9.3E-03	6.2E-03	5.3E-03	N.D.	9.2E-03	4.0E-03	5.5E-03	7.2E-03	4.6E-03
Hydroxyproline	1.8E-01	2.2E-01	2.4E-01	2.1E-01	2.3E-01	2.4E-01	2.6E-01	1.6E-01	2.1E-01	2.4E-01	2.0E-01	1.4E-01
Creatine	2.1E+00	2.2E+00	2.0E+00	2.4E+00	3.2E+00	2.9E+00	2.4E+00	3.0E+00	1.8E+00	2.0E+00	2.1E+00	1.5E+00
Ile	1.4E+00	2.2E+00	2.2E+00	2.8E+00	2.3E+00	2.4E+00	2.6E+00	2.0E+00	2.3E+00	2.0E+00	2.4E+00	1.6E+00
Leu	2.6E+00	3.8E+00	4.0E+00	4.5E+00	3.9E+00	4.1E+00	4.6E+00	3.0E+00	3.8E+00	3.4E+00	3.7E+00	2.5E+00
Asn	1.5E-01	1.9E-01	1.8E-01	2.8E-01	2.4E-01	1.9E-01	2.2E-01	2.0E-01	1.9E-01	1.7E-01	1.7E-01	1.5E-01
Ornithine	2.8E-01	5.6E-01	4.8E-01	4.9E-01	6.5E-01	6.9E-01	8.0E-01	3.5E-01	7.2E-01	9.5E-01	8.2E-01	3.7E-01
Thiaproline	1.8E-02	1.5E-02	1.5E-02	1.3E-02	1.6E-02	2.4E-02	1.2E-02	1.8E-02	7.0E-03	1.0E-02	1.5E-02	5.6E-03
Asp	5.1E-02	4.4E-02	2.8E-02	4.4E-02	5.9E-02	5.2E-02	3.4E-02	5.4E-02	5.2E-02	3.6E-02	6.4E-02	4.3E-02
1-Methylnicotinamide	1.1E-02	7.1E-03	8.2E-03	1.0E-02	1.7E-02	8.2E-03	8.7E-03	1.8E-02	1.1E-02	1.7E-02	1.3E-02	1.8E-02
Trigonelline	2.7E-02	4.4E-02	5.3E-02	2.6E-02	3.8E-02	4.8E-02	6.1E-02	2.1E-02	4.1E-02	4.6E-02	4.8E-02	2.3E-02
Tyramine	7.2E-03	8.1E-03	1.5E-02	9.0E-03	6.9E-03	7.8E-03	9.2E-03	1.9E-02	7.7E-03	8.8E-03	1.4E-02	8.9E-03
Urocanic acid	6.9E-03	3.4E-03	3.4E-03	2.5E-03	7.9E-03	6.3E-03	4.2E-03	3.1E-03	6.6E-03	6.7E-03	7.0E-03	5.7E-03
Ectoine	4.0E-03	6.3E-03	1.0E-02	4.2E-03	6.6E-03	9.4E-03	1.2E-02	N.D.	9.1E-03	9.1E-03	8.8E-03	N.D.
Stachydrine	3.2E-01	3.9E-01	4.3E-01	2.9E-01	3.8E-01	3.9E-01	4.9E-01	2.3E-01	3.0E-01	3.6E-01	3.4E-01	2.3E-01
4-Guanidinobutyric acid	7.0E-03	8.1E-03	7.8E-03	5.7E-03	8.4E-03	1.0E-02	1.4E-02	6.2E-03	1.0E-02	8.5E-03	9.6E-03	6.0E-03
γ-Butyrobetaine	3.3E-02	4.8E-02	4.5E-02	5.1E-02	4.1E-02	2.7E-02	3.2E-02	3.8E-02	3.2E-02	2.7E-02	2.8E-02	2.3E-02
Gln	4.8E+00	5.7E+00	6.3E+00	8.0E+00	6.0E+00	5.0E+00	5.3E+00	7.2E+00	4.6E+00	6.3E+00	5.5E+00	5.6E+00
Lys	2.0E+00	2.8E+00	2.9E+00	3.3E+00	3.3E+00	2.9E+00	2.9E+00	2.6E+00	3.5E+00	3.7E+00	3.6E+00	3.0E+00
threo-β-methylaspartic acid	2.9E-03	3.6E-03	5.2E-03	3.7E-03	2.4E-03	N.D.	N.D.	N.D.	6.1E-03	5.9E-03	7.5E-03	4.5E-03
Glu	2.3E-01	2.9E-01	2.2E-01	2.9E-01	3.2E-01	2.6E-01	2.2E-01	3.0E-01	2.3E-01	2.1E-01	3.3E-01	1.7E-01
Met	4.3E-01	6.3E-01	6.0E-01	5.7E-01	6.2E-01	7.2E-01	7.2E-01	4.1E-01	4.9E-01	4.7E-01	5.5E-01	3.4E-01
Triethanolamine	1.8E-03	3.8E-03	8.4E-03	4.5E-03	2.1E-02	2.2E-03	3.0E-03	3.2E-03	1.0E-02	2.1E-03	3.0E-03	4.7E-03
His	7.8E-01	7.9E-01	9.1E-01	1.0E+00	8.8E-01	9.2E-01	9.5E-01	9.3E-01	8.3E-01	8.8E-01	8.5E-01	7.5E-01
β-Imidazolelactic acid	4.6E-03	3.7E-03	2.7E-03	3.8E-03	3.2E-03	4.2E-03	3.5E-03	2.2E-03	1.7E-03	2.0E-03	2.8E-03	1.5E-03
Betonicine	2.0E-03	3.1E-03	3.9E-03	N.D.	2.8E-03	2.8E-03	3.9E-03	N.D.	N.D.	2.9E-03	2.5E-03	N.D.
N-Methylglutamic acid	6.5E-03	6.6E-03	6.7E-03	8.1E-03	9.5E-03	6.5E-03	7.1E-03	8.1E-03	8.1E-03	9.8E-03	8.2E-03	8.5E-03
2-Aminoadipic acid	3.5E-02	4.9E-02	4.9E-02	5.4E-02	3.3E-02	3.6E-02	4.2E-02	3.4E-02	4.4E-02	4.6E-02	3.8E-02	3.3E-02
Carnitine	6.3E-01	6.8E-01	8.0E-01	9.8E-01	8.0E-01	5.7E-01	5.8E-01	7.5E-01	5.9E-01	6.1E-01	5.9E-01	5.6E-01
5-Hydroxylysine	1.2E-02	2.4E-02	2.2E-02	1.6E-02	2.3E-02	2.7E-02	3.2E-02	1.1E-02	3.1E-02	2.9E-02	3.1E-02	1.4E-02
S-Methylmethionine	5.5E-03	5.9E-03	6.8E-03	1.1E-02	4.9E-03	5.8E-03	4.0E-03	6.9E-03	1.1E-02	1.2E-02	1.5E-02	1.8E-02
Methionine sulfoxide	3.7E-02	6.1E-02	6.0E-02	3.8E-02	5.5E-02	8.0E-02	9.0E-02	2.7E-02	7.2E-02	6.8E-02	7.7E-02	3.1E-02
Phe	9.1E-01	1.1E+00	1.1E+00	1.1E+00	1.3E+00	1.2E+00	1.4E+00	8.8E-01	1.2E+00	1.0E+00	1.1E+00	7.1E-01
3-Methylhistidine	1.3E-01	1.3E-01	1.4E-01	1.5E-01	1.8E-01	1.5E-01	1.7E-01	1.5E-01	1.2E-01	1.3E-01	1.3E-01	1.0E-01
N5-Ethylglutamine	4.2E-02	5.6E-02	5.0E-02	7.0E-02	6.3E-02	5.9E-02	6.1E-02	5.2E-02	4.1E-02	4.6E-02	3.7E-02	2.8E-02
Arg	1.2E+00	1.5E+00	1.7E+00	1.4E+00	1.8E+00	1.8E+00	1.8E+00	1.2E+00	2.0E+00	2.0E+00	2.0E+00	1.5E+00
Guanidinosuccinic acid	2.6E-03	4.9E-03	3.4E-03	4.8E-03	3.4E-03	3.6E-03	5.4E-03	4.6E-03	1.6E-03	2.2E-03	1.8E-03	8.0E-04
Citrulline	3.9E-01	5.7E-01	5.8E-01	6.3E-01	4.7E-01	6.0E-01	6.3E-01	5.1E-01	4.9E-01	6.2E-01	5.4E-01	3.5E-01
Serotonin	1.8E-03	1.0E-01	3.4E-03	1.5E-03	4.4E-02	2.5E-03	1.4E-01	5.7E-03	1.0E-02	2.0E-03	1.0E-02	3.4E-03
Mannosamine ; Galactosamine ; Glucosamine	2.2E-03	2.7E-03	3.3E-03	5.3E-03	2.7E-03	2.6E-03	6.1E-03	5.0E-03	7.6E-03	N.D.	N.D.	5.5E-03
Tyr	5.5E-01	1.1E+00	9.7E-01	1.2E+00	9.8E-01	9.4E-01	9.9E-01	6.0E-01	8.5E-01	7.5E-01	9.2E-01	3.6E-01
Dacarbazine	2.9E-02	2.7E-02	2.4E-02	3.2E-02	2.6E-02	2.7E-02	3.7E-02	3.1E-02	2.4E-02	1.9E-02	2.8E-02	1.9E-02
Phosphorylcholine	2.2E-02	2.2E-02	1.5E-02	2.2E-02	2.5E-02	2.0E-02	1.9E-02	1.9E-02	1.6E-02	3.3E-02	3.1E-02	1.6E-02
N8-Acetylspermidine	4.5E-03	3.6E-03	4.8E-03	4.8E-03	4.3E-03	2.5E-03	2.1E-03	3.0E-03	3.4E-03	3.6E-03	2.9E-03	3.8E-03
N6-Acetyllysine	8.6E-03	1.0E-02	1.2E-02	1.2E-02	9.9E-03	1.1E-02	1.4E-02	9.6E-03	1.1E-02	9.5E-03	9.1E-03	6.2E-03
Gly-Leu	2.8E-03	4.3E-03	4.6E-03	3.3E-03	4.8E-03	4.8E-03	4.5E-03	3.4E-03	4.0E-03	N.D.	2.7E-03	2.4E-03
Nω-Methylarginine	2.1E-03	2.6E-03	3.8E-03	3.6E-03	4.9E-03	4.0E-03	6.0E-03	4.0E-03	3.7E-03	4.2E-03	3.9E-03	3.0E-03
"2,6-Diaminoheptanedioic acid"	1.8E-03	6.2E-03	4.5E-03	5.1E-03	4.0E-03	2.5E-03	2.0E-03	3.0E-03	2.6E-03	2.7E-03	3.0E-03	1.3E-03
N-Acetylhistidine	3.9E-03	4.0E-03	3.9E-03	3.8E-03	3.5E-03	5.2E-03	6.4E-03	3.6E-03	4.1E-03	3.4E-03	5.0E-03	3.5E-03
ADMA	1.5E-02	1.4E-02	1.5E-02	1.9E-02	1.7E-02	1.4E-02	1.8E-02	2.1E-02	1.4E-02	1.5E-02	1.4E-02	1.4E-02
SDMA	2.5E-03	3.3E-03	2.6E-03	4.8E-03	3.0E-03	1.6E-03	2.8E-03	4.1E-03	3.7E-03	3.0E-03	3.1E-03	3.1E-03
O-Acetylcarnitine	4.2E-01	5.1E-01	6.3E-01	6.8E-01	9.6E-01	4.8E-01	4.6E-01	9.4E-01	3.5E-01	3.7E-01	3.4E-01	3.4E-01
Trp	7.2E-01	1.0E+00	1.0E+00	9.8E-01	1.3E+00	9.6E-01	1.2E+00	7.0E-01	7.2E-01	5.1E-01	6.0E-01	5.5E-01
Carboxymethyllysine	5.8E-03	5.5E-03	6.2E-03	5.6E-03	5.3E-03	6.5E-03	6.3E-03	5.8E-03	4.9E-03	4.7E-03	5.6E-03	3.9E-03
Kynurenine	8.4E-03	1.3E-02	1.7E-02	1.2E-02	1.1E-02	9.7E-03	1.5E-02	1.1E-02	1.0E-02	8.2E-03	9.5E-03	8.3E-03
N-Acetylglucosamine	8.5E-03	9.3E-03	1.2E-02	9.7E-03	7.3E-03	8.2E-03	8.0E-03	7.8E-03	9.5E-03	1.0E-02	7.4E-03	1.0E-02
Cystathionine	8.4E-03	1.1E-02	1.1E-02	1.4E-02	8.0E-03	1.1E-02	1.2E-02	1.1E-02	1.1E-02	9.8E-03	8.4E-03	N.D.
Carnosine	8.0E-03	5.2E-03	6.0E-03	4.6E-03	1.4E-02	1.8E-02	1.1E-02	1.4E-02	5.0E-03	8.2E-03	8.0E-03	3.0E-03
2'-Deoxycytidine	7.1E-03	6.7E-03	8.0E-03	8.2E-03	6.6E-03	6.0E-03	6.0E-03	6.7E-03	7.0E-03	5.2E-03	7.3E-03	6.8E-03
Cystine	2.5E-01	2.5E-01	3.3E-01	3.1E-01	2.4E-01	2.6E-01	2.5E-01	3.8E-01	2.3E-01	2.9E-01	1.6E-01	2.5E-01
Homocarnosine	5.3E-03	4.2E-03	4.4E-03	2.6E-03	4.6E-03	4.4E-03	4.6E-03	N.D.	3.1E-03	5.9E-03	4.3E-03	N.D.
Cytidine	1.2E-02	1.3E-02	1.1E-02	2.0E-02	1.7E-02	1.4E-02	7.9E-03	1.5E-02	1.2E-02	5.7E-03	1.0E-02	7.2E-03
Ribavirin	2.8E-02	3.7E-02	3.4E-02	4.0E-02	4.8E-02	3.0E-02	3.6E-02	4.2E-02	4.1E-02	3.7E-02	3.7E-02	4.1E-02
Glycerophosphocholine	2.7E-02	2.3E-02	2.1E-02	2.5E-02	3.1E-02	2.4E-02	2.1E-02	3.2E-02	2.5E-02	2.9E-02	3.5E-02	2.6E-02
Thiamine	8.0E-03	1.2E-02	9.4E-03	1.3E-02	9.1E-03	9.1E-03	1.0E-02	9.2E-03	7.4E-03	7.0E-03	6.3E-03	5.8E-03
1-Methyladenosine	2.1E-03	1.9E-03	2.6E-03	2.9E-03	2.3E-03	1.6E-03	2.1E-03	2.6E-03	1.4E-03	1.7E-03	N.D.	1.6E-03
Ophthalmic acid	2.6E-03	3.8E-03	4.3E-03	4.9E-03	6.1E-03	5.9E-03	6.3E-03	4.1E-03	5.6E-03	3.8E-03	5.1E-03	2.7E-03
Argininosuccinic acid	2.0E-03	2.7E-03	4.2E-03	2.8E-03	2.4E-03	2.9E-03	3.8E-03	2.7E-03	3.5E-03	3.9E-03	2.3E-03	1.7E-03
Glutathione (GSSG)_divalent	1.6E-01	1.4E-01	1.1E-01	1.2E-01	2.0E-01	1.7E-01	1.3E-01	1.5E-01	1.3E-01	9.8E-02	1.6E-01	8.7E-02
Thiamine phosphate	2.1E-03	3.1E-03	3.4E-03	2.7E-03	3.6E-03	2.5E-03	2.8E-03	2.7E-03	3.1E-03	N.D.	2.5E-03	2.2E-03
S-Adenosylmethionine	1.2E-03	1.3E-03	1.7E-03	1.8E-03	1.4E-03	1.3E-03	1.1E-03	1.4E-03	1.3E-03	1.0E-03	1.2E-03	1.1E-03
Cysteine-glutathione disulphide	1.5E-01	1.3E-01	1.3E-01	1.3E-01	1.6E-01	1.5E-01	1.2E-01	1.7E-01	1.2E-01	1.1E-01	1.1E-01	1.0E-01
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Urea
Gly
Trimethylamine N-oxide
Putrescine
β-Ala
Sarcosine
Ala
Cyclohexylamine
Hexylamine
2-Aminobutyric acid
"N,N-Dimethylglycine"
3-Aminobutyric acid
γ-Aminobutyric acid
Choline
Ser
Diethanolamine
Hypotaurine
Cytosine
Histamine
Creatinine
Pro
Guanidoacetic acid
Betaine
Val
Thr
Cys
Nicotinamide
Taurine
1-Methylhistamine
Pipecolic acid
N-Methylproline
Hydroxyproline
Creatine
Ile
Leu
Asn
Ornithine
Thiaproline
Asp
1-Methylnicotinamide
Trigonelline
Tyramine
Urocanic acid
Ectoine
Stachydrine
4-Guanidinobutyric acid
γ-Butyrobetaine
Gln
Lys
threo-β-methylaspartic acid
Glu
Met
Triethanolamine
His
β-Imidazolelactic acid
Betonicine
N-Methylglutamic acid
2-Aminoadipic acid
Carnitine
5-Hydroxylysine
S-Methylmethionine
Methionine sulfoxide
Phe
3-Methylhistidine
N5-Ethylglutamine
Arg
Guanidinosuccinic acid
Citrulline
Serotonin
Mannosamine ; Galactosamine ; Glucosamine
Tyr
Dacarbazine
Phosphorylcholine
N8-Acetylspermidine
N6-Acetyllysine
Gly-Leu
Nω-Methylarginine
"2,6-Diaminoheptanedioic acid"
N-Acetylhistidine
ADMA
SDMA
O-Acetylcarnitine
Trp
Carboxymethyllysine
Kynurenine
N-Acetylglucosamine
Cystathionine
Carnosine
2'-Deoxycytidine
Cystine
Homocarnosine
Cytidine
Ribavirin
Glycerophosphocholine
Thiamine
1-Methyladenosine
Ophthalmic acid
Argininosuccinic acid
Glutathione (GSSG)_divalent
Thiamine phosphate
S-Adenosylmethionine
Cysteine-glutathione disulphide
METABOLITES_END
#END